Glycoside
GD054540
Name:
NoneFormula:
C14H21O6N3Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cc(OCC3CC3)ncn2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(OCC2CC2)ncn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 327.34 | Num_heavy_atoms: | 23 |
| TPSA: | 137.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD27797
Formula: C8H11ON3
Smiles:
Nc1cc(OCC2CC2)ncn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.2 | Num_heavy_atoms: | 12 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
